Crystal Structure Determination and Hirshfeld Analysis of a New Alternariol Packing Polymorph.

ABSTRACT: A new polymorph of the mycotoxin alternariol is reported and characterized by single crystal X-ray diffraction. Structural data, Hirshfeld surface analysis, and 2D fingerprint plots are used to compare differences in the intermolecular interactions of the orthorhombic Pca2₁ Form I (previously reported) and the monoclinic P2₁/c Form II (herein reported). The polymorphs have small differences in planarity-7.55° and 2.19° between the terminal rings for Form I and Form II, respectively-that brings about significant differences in the crystal packing and O-H … H interactions.

SUBMITTER: Rue KL 

PROVIDER: S-EPMC9374539 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature